N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine

C13H19FN4 — CID 90945259

IUPACN'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)c1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H19FN4/c1-4-18(8-7-15-2)13-16-11-9-10(14)5-6-12(11)17(13)3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyNEQBSELNZHAXPO-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.76
Rot. Bonds5

About N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine

N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine (PubChem CID 90945259) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine
PubChem CID90945259
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC NameN'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)c1nc2cc(F)ccc2n1C
InChIInChI=1S/C13H19FN4/c1-4-18(8-7-15-2)13-16-11-9-10(14)5-6-12(11)17(13)3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyNEQBSELNZHAXPO-UHFFFAOYSA-N
XLogP1.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine (CID 90945259) is N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine is CCN(CCNC)c1nc2cc(F)ccc2n1C.
What is the InChIKey of N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is NEQBSELNZHAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-4-18(8-7-15-2)13-16-11-9-10(14)5-6-12(11)17(13)3/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine?
N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 250.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 90945259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).